SCHEMBL29612236

SCHEMBL29612236

CN1C(C)(C)CC(C(CCCOC(=O)CC(=O)OCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 6/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
HMGCR P04035 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
ALOX15 P16050 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29794006 0.88 GAA (0.34) GAAHTTPKMMEN1KMT2A
SCHEMBL1695280 0.85 HMGCR (0.37) GAAHTTPKMMEN1KMT2A
SCHEMBL1695282 0.83 HMGCR (0.36) GAAHTTPKMMEN1KMT2A
SCHEMBL22260996 0.82 GAA (0.33) GAAHTTPKMMEN1KMT2A
SCHEMBL19118382 0.81 HMGCR (0.35) GAAHTTPKMMEN1KMT2A
SCHEMBL28473326 0.79 GAA (0.36) GAAHTTPKMMEN1KMT2A
SCHEMBL21295451 0.79 GAA (0.37) GAAHTTPKMMEN1KMT2A
SCHEMBL21239974 0.77 IDH1 (0.33) GAAHTTPKMALDH1A1KDM4E
SCHEMBL207800 0.77 ALDH1A1 (0.36) GAAHTTPKMMEN1KMT2A
SCHEMBL28550366 0.76

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4259710-A1 AN ORGANIC MATERIAL BASED SHAPED ARTICLE BASF SE (DE) 2023-10-18 EP claimed
WO-2022122868-A1 AN ORGANIC MATERIAL BASED SHAPED ARTICLE BASF SE (DE) 2022-06-16 WO claimed